SCHEMBL7008142

SCHEMBL7008142

CCOC(=O)c1cn(-c2cc(N)c(F)cc2Cl)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
STAT3 P40763 2/20 0.45
POLB P06746 1/20 0.44
PIM1 P11309 1/20 0.43
IRAK1 P51617 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
PIM3 Q86V86 1/20 0.43
HTT P42858 1/20 0.42
ROCK2 O75116 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7005217 0.91 KMT2A (0.56) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL7007733 0.85 KMT2A (0.55) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL7008151 0.85 STAT3 (0.43) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL7005414 0.84 KMT2A (0.54) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL19728640 0.84 KMT2A (0.50) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL7007646 0.84 ALDH1A1 (0.60) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL7012178 0.84 TOP1 (0.43) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL5258973 0.79 KMT2A (0.57) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL9046233 0.79 KMT2A (0.53) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL7004281 0.78 TOP1 (0.45) KMT2AALDH1A1LMNAKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed